HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=40",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=38",
"results": [
{
"id": "mp-674158",
"created_at": "2022-09-04T14:41:51.266078Z",
"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.42149548918761226,
"density_atomic": 0.00819501733909508,
"volume": 122.02536719835948,
"volume_molar": 73.48539375592077,
"formula_full": "P1",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -1.89552785,
"energy_per_atom": -1.89552785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.89552785,
"band_gap": 2.0034,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
},
{
"id": "mp-12883",
"created_at": "2022-09-04T14:41:02.265157Z",
"structure_string": "P8\n1.0\n4.523025 5.098260 0.000000\n-4.523025 5.098260 0.000000\n0.000000 0.021401 6.000834\nP\n8\ndirect\n0.837502 0.837502 0.755020 P\n0.162498 0.162498 0.244980 P\n0.717865 0.717865 0.450271 P\n0.282135 0.282135 0.549729 P\n0.528690 0.772283 0.747424 P\n0.227717 0.471310 0.252576 P\n0.471310 0.227717 0.252576 P\n0.772283 0.528690 0.747424 P\n",
"nsites": 8,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.4867586182452428,
"density_atomic": 0.028906626448250247,
"volume": 276.75315257980407,
"volume_molar": 20.833080507616717,
"formula_full": "P8",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -42.1937442,
"energy_per_atom": -5.274218025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.1937442,
"band_gap": 3.5354,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.741000Z",
"spacegroup": 12
},
{
"id": "mp-1014013",
"created_at": "2022-09-04T14:42:51.577922Z",
"structure_string": "P4\n1.0\n3.299918 0.000000 0.000000\n0.000000 4.600926 0.000000\n0.000000 0.000000 35.235589\nP\n4\ndirect\n0.000000 0.588557 0.970112 P\n0.000000 0.411443 0.029888 P\n0.500000 0.088557 0.029888 P\n0.500000 0.911443 0.970112 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3845679734918437,
"density_atomic": 0.007477046117149621,
"volume": 534.9706203931867,
"volume_molar": 80.54170946180741,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.47303725,
"energy_per_atom": -5.3682593125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47303725,
"band_gap": 0.8832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.369000Z",
"spacegroup": 53
},
{
"id": "mp-118",
"created_at": "2022-09-04T14:40:40.578560Z",
"structure_string": "P24\n1.0\n6.024789 0.000000 0.000000\n-2.097822 11.676014 0.000000\n-1.823901 -1.203666 11.818700\nP\n24\ndirect\n0.072058 0.002225 0.186819 P\n0.927942 0.997775 0.813181 P\n0.850467 0.952993 0.312077 P\n0.149533 0.047007 0.687923 P\n0.006843 0.134953 0.309157 P\n0.993157 0.865047 0.690843 P\n0.221928 0.011505 0.366927 P\n0.778072 0.988495 0.633073 P\n0.763585 0.368292 0.057523 P\n0.236415 0.631708 0.942477 P\n0.592584 0.186137 0.034895 P\n0.407416 0.813863 0.965105 P\n0.513831 0.305591 0.165930 P\n0.486169 0.694409 0.834070 P\n0.396884 0.320114 0.985814 P\n0.603116 0.679886 0.014186 P\n0.296883 0.682883 0.463448 P\n0.703117 0.317117 0.536552 P\n0.947588 0.627152 0.367824 P\n0.052412 0.372848 0.632176 P\n0.201284 0.515294 0.359954 P\n0.798716 0.484706 0.640046 P\n0.236519 0.676026 0.277493 P\n0.763481 0.323974 0.722507 P\n",
"nsites": 24,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.484732238196678,
"density_atomic": 0.028867228115267863,
"volume": 831.3926056276395,
"volume_molar": 20.861513741303384,
"formula_full": "P24",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -126.58428697,
"energy_per_atom": -5.274345290416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.58428697,
"band_gap": 3.6113,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.194000Z",
"spacegroup": 2
},
{
"id": "mp-130",
"created_at": "2022-09-04T14:45:02.839716Z",
"structure_string": "P2\n1.0\n3.263180 -1.744436 0.000000\n3.263180 1.744436 0.000000\n2.330637 0.000000 2.873940\nP\n2\ndirect\n0.227773 0.227773 0.227773 P\n0.772227 0.772227 0.772227 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1439040720436666,
"density_atomic": 0.06112603585036584,
"volume": 32.71928192588707,
"volume_molar": 9.852006066190791,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.6553366,
"energy_per_atom": -5.3276683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.6553366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.871000Z",
"spacegroup": 166
},
{
"id": "mp-157",
"created_at": "2022-09-04T14:39:36.446654Z",
"structure_string": "P4\n1.0\n1.653055 -5.610551 0.000000\n1.653055 5.610551 0.000000\n0.000000 0.000000 4.552418\nP\n4\ndirect\n0.405506 0.594494 0.913483 P\n0.594494 0.405506 0.086517 P\n0.094494 0.905506 0.413483 P\n0.905506 0.094494 0.586517 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.4363411481751363,
"density_atomic": 0.04736909045391714,
"volume": 84.44325110889318,
"volume_molar": 12.71322861024452,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.50360779,
"energy_per_atom": -5.3759019475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.50360779,
"band_gap": 0.0383000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.040000Z",
"spacegroup": 64
},
{
"id": "mp-7245",
"created_at": "2022-09-04T14:45:52.698538Z",
"structure_string": "P2\n1.0\n-1.713534 1.861032 2.520878\n1.713534 -1.861032 2.520878\n1.713534 1.861032 -2.520878\nP\n2\ndirect\n0.199318 0.750000 0.449318 P\n0.800682 0.250000 0.550682 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1990031202063465,
"density_atomic": 0.06219731102802216,
"volume": 32.15573096237114,
"volume_molar": 9.682316904804464,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.63957907,
"energy_per_atom": -5.319789535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.63957907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.853000Z",
"spacegroup": 74
},
{
"id": "mp-1179990",
"created_at": "2022-09-04T14:40:13.627236Z",
"structure_string": "P2\n1.0\n5.482031 6.101249 0.000000\n-5.482031 6.101249 0.000000\n0.000000 1.435233 5.150358\nP\n2\ndirect\n0.455085 0.455085 0.879676 P\n0.544915 0.544915 0.120324 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.2985694719708449,
"density_atomic": 0.0058050016251453805,
"volume": 344.5304806352939,
"volume_molar": 103.7405525248097,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -9.07396909,
"energy_per_atom": -4.536984545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.07396909,
"band_gap": 3.0938,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.073000Z",
"spacegroup": 12
},
{
"id": "mp-1094075",
"created_at": "2022-09-04T14:45:00.511719Z",
"structure_string": "P10\n1.0\n19.809882 0.000000 0.000000\n0.000000 5.598318 0.000000\n0.000000 1.527253 6.157634\nP\n10\ndirect\n0.587234 0.853903 0.692006 P\n0.556863 0.828163 0.361585 P\n0.443137 0.828163 0.361585 P\n0.412766 0.853903 0.692006 P\n0.500000 0.776403 0.916956 P\n0.413233 0.452761 0.327781 P\n0.442236 0.248660 0.658664 P\n0.557764 0.248660 0.658664 P\n0.586767 0.452761 0.327781 P\n0.500000 0.385985 0.120962 P\n",
"nsites": 10,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.7531643069387214,
"density_atomic": 0.014643560163470785,
"volume": 682.8940427305091,
"volume_molar": 41.1248404948858,
"formula_full": "P10",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -53.45582629,
"energy_per_atom": -5.345582629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.45582629,
"band_gap": 1.3058999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.809000Z",
"spacegroup": 6
},
{
"id": "mp-1198724",
"created_at": "2022-09-04T14:40:42.475949Z",
"structure_string": "P42\n1.0\n7.857480 0.000000 0.000000\n-2.520449 11.882710 0.000000\n-3.753232 -3.721688 11.930256\nP\n42\ndirect\n0.275665 0.666404 0.848965 P\n0.724335 0.333596 0.151035 P\n0.032943 0.518703 0.728404 P\n0.967057 0.481297 0.271596 P\n0.023455 0.414041 0.847672 P\n0.976545 0.585959 0.152328 P\n0.779668 0.271809 0.725494 P\n0.220332 0.728191 0.274506 P\n0.739180 0.151702 0.826513 P\n0.260820 0.848298 0.173487 P\n0.483160 0.019708 0.702218 P\n0.516840 0.980292 0.297782 P\n0.513744 0.924086 0.828901 P\n0.486256 0.075914 0.171099 P\n0.276797 0.766685 0.727633 P\n0.723203 0.233315 0.272367 P\n0.448101 0.519634 0.668705 P\n0.551899 0.480366 0.331295 P\n0.148619 0.420528 0.607525 P\n0.851381 0.579472 0.392475 P\n0.193809 0.266959 0.666291 P\n0.806191 0.733041 0.333709 P\n0.892784 0.175608 0.600423 P\n0.107216 0.824392 0.399577 P\n0.889565 0.005952 0.636102 P\n0.110435 0.994048 0.363898 P\n0.585824 0.918929 0.572147 P\n0.414176 0.081071 0.427853 P\n0.667082 0.778237 0.640371 P\n0.332918 0.221763 0.359629 P\n0.385680 0.664562 0.603129 P\n0.614320 0.335438 0.396871 P\n0.524416 0.608575 0.849816 P\n0.475584 0.391425 0.150184 P\n0.235968 0.320337 0.847554 P\n0.764032 0.679663 0.152446 P\n0.944064 0.048820 0.820582 P\n0.055936 0.951180 0.179418 P\n0.770479 0.872510 0.823859 P\n0.229521 0.127490 0.176141 P\n0.515559 0.455159 0.919113 P\n0.484441 0.544841 0.080887 P\n",
"nsites": 42,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.939294650444865,
"density_atomic": 0.03770515626784336,
"volume": 1113.9060053656235,
"volume_molar": 15.97166370885976,
"formula_full": "P42",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -227.35870528,
"energy_per_atom": -5.413302506666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.35870528,
"band_gap": 1.9259,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.297000Z",
"spacegroup": 2
},
{
"id": "mp-568348",
"created_at": "2022-09-04T14:43:05.516216Z",
"structure_string": "P84\n1.0\n9.260506 0.000000 0.000000\n0.000000 9.290484 0.000000\n0.000000 5.950707 23.366553\nP\n84\ndirect\n0.392435 0.044641 0.419902 P\n0.406288 0.251112 0.449492 P\n0.798587 0.297630 0.821487 P\n0.163196 0.998024 0.053026 P\n0.642474 0.482829 0.036716 P\n0.140312 0.791830 0.418910 P\n0.785103 0.075630 0.117705 P\n0.322549 0.788404 0.831157 P\n0.385897 0.855602 0.173614 P\n0.099939 0.140652 0.174799 P\n0.635538 0.687959 0.068136 P\n0.964657 0.827710 0.618809 P\n0.948287 0.045317 0.321522 P\n0.798587 0.702370 0.678513 P\n0.450749 0.562094 0.332123 P\n0.317364 0.052371 0.203643 P\n0.140312 0.208170 0.081090 P\n0.900061 0.859348 0.825201 P\n0.642474 0.517171 0.463284 P\n0.357526 0.482829 0.536716 P\n0.035343 0.172290 0.381191 P\n0.866829 0.539498 0.429935 P\n0.964657 0.172290 0.881191 P\n0.513296 0.313194 0.104244 P\n0.051713 0.045317 0.821522 P\n0.719600 0.422451 0.882584 P\n0.051713 0.954683 0.678478 P\n0.549251 0.562094 0.832123 P\n0.607565 0.955359 0.580098 P\n0.614103 0.855602 0.673614 P\n0.406288 0.748888 0.050508 P\n0.133171 0.539498 0.929935 P\n0.549251 0.437906 0.667877 P\n0.280400 0.422451 0.382584 P\n0.035343 0.827710 0.118809 P\n0.644763 0.584786 0.162581 P\n0.355237 0.415214 0.837419 P\n0.866829 0.460502 0.070065 P\n0.133171 0.460502 0.570065 P\n0.820704 0.590591 0.336043 P\n0.607565 0.044641 0.919902 P\n0.163196 0.001976 0.446974 P\n0.682636 0.947629 0.796357 P\n0.179296 0.590591 0.836043 P\n0.836804 0.998024 0.553026 P\n0.355237 0.584786 0.662581 P\n0.635538 0.312041 0.431864 P\n0.593712 0.251112 0.949492 P\n0.322549 0.211596 0.668843 P\n0.593712 0.748888 0.550508 P\n0.785103 0.924370 0.382295 P\n0.214897 0.924370 0.882295 P\n0.201413 0.297630 0.321487 P\n0.677451 0.211596 0.168843 P\n0.357526 0.517171 0.963284 P\n0.317364 0.947629 0.296357 P\n0.513296 0.686806 0.395756 P\n0.214897 0.075630 0.617705 P\n0.644763 0.415214 0.337419 P\n0.719600 0.577549 0.617416 P\n0.900061 0.140652 0.674799 P\n0.280400 0.577549 0.117416 P\n0.450749 0.437906 0.167877 P\n0.085117 0.755384 0.948705 P\n0.364462 0.687959 0.568136 P\n0.682636 0.052371 0.703643 P\n0.677451 0.788404 0.331157 P\n0.385897 0.144398 0.326386 P\n0.914883 0.755384 0.448705 P\n0.364462 0.312041 0.931864 P\n0.099939 0.859348 0.325201 P\n0.820704 0.409409 0.163957 P\n0.859688 0.208170 0.581090 P\n0.486704 0.313194 0.604244 P\n0.486704 0.686806 0.895756 P\n0.914883 0.244616 0.051295 P\n0.859688 0.791830 0.918910 P\n0.179296 0.409409 0.663957 P\n0.836804 0.001976 0.946974 P\n0.085117 0.244616 0.551295 P\n0.614103 0.144398 0.826386 P\n0.948287 0.954683 0.178478 P\n0.201413 0.702370 0.178513 P\n0.392435 0.955359 0.080098 P\n",
"nsites": 84,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.1490901450835844,
"density_atomic": 0.0417841506113939,
"volume": 2010.3316394110088,
"volume_molar": 14.412500127160309,
"formula_full": "P84",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -454.32817717,
"energy_per_atom": -5.408668775833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.32817717,
"band_gap": 1.8454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.644000Z",
"spacegroup": 13
},
{
"id": "mp-1120743",
"created_at": "2022-09-04T14:43:57.868508Z",
"structure_string": "P4\n1.0\n4.148696 -5.785817 0.000000\n4.148696 5.785817 0.000000\n0.000000 0.000000 7.155529\nP\n4\ndirect\n0.394198 0.394198 0.448684 P\n0.894198 0.894198 0.051316 P\n0.605802 0.605802 0.551316 P\n0.105802 0.105802 0.948684 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.5989009446267416,
"density_atomic": 0.01164426133023683,
"volume": 343.5168523410875,
"volume_molar": 51.71767095575411,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -18.16121976,
"energy_per_atom": -4.54030494,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.16121976,
"band_gap": 2.7833,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.394000Z",
"spacegroup": 64
}
]
}